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Chemical ID: 7591908
Chemical ID:
7591908
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CC3CNCc4c3c(ccc4)S2
InChi [?]:
InChI=1/C16H15NS/c1-2-6-14-11(4-1)8-13-10-17-9-12-5-3-7-15(18-14)16(12)13/h1-7,13,17H,8-10H2
InChi Info:
AuxInfo=1/0/N:1,2,16,6,17,3,15,7,11,9,5,12,8,4,14,13,10,18/rA:18cCCCCCCCCCNCCCCCCCS/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s8s12;d13;s14;d15;d12s16;s4s14;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15NS |
All Atoms: | 33 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.62804 |
Area: | 401.751 |
Solvation: | -1.41573 |
Coulombic: | -11.6905 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 0 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.29 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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